General Information of the Compound
| Compound ID |
CP0912635
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID87541156
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C32H37F3N4O4
|
||||||||||||||||||
| Molecular Weight |
598.666
|
||||||||||||||||||
| Canonical SMILES |
C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccccc2)Oc2ccc(NC(=O)Nc3ccc(C(F)(F)F)cc3)cc2CC1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C32H37F3N4O4/c1-21-17-39(22(2)20-40)30(41)16-24-15-27(37-31(42)36-26-11-9-25(10-12-26)32(33,34)35)13-14-28(24)43-29(21)19-38(3)18-23-7-5-4-6-8-23/h4-15,21-22,29,40H,16-20H2,1-3H3,(H2,36,37,42)/t21-,22+,29+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MXAUBRBUARVCOA-DKGMKSHISA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound